SCHEMBL7002064

SCHEMBL7002064

CC1(C)OC(c2ccc(S(C)(=O)=O)cc2)=C(c2cccc(C(F)F)c2)C1=O

nearest known ligand 0.59

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 18/20 0.50
PTGS1 P23219 11/20 0.50
ELANE P08246 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6999109 0.92 PTGS2 (0.48) PTGS2PTGS1
SCHEMBL6994972 0.87 PTGS2 (0.47) PTGS2PTGS1ELANE
SCHEMBL7003900 0.87 PTGS2 (0.46) PTGS2PTGS1
SCHEMBL7003099 0.85 PTGS2 (0.69) PTGS2PTGS1
SCHEMBL6994742 0.84 PTGS2 (0.53) PTGS2PTGS1
SCHEMBL7001659 0.83 PTGS2 (0.51) PTGS2PTGS1
SCHEMBL7003037 0.82 PTGS2 (0.58) PTGS2PTGS1
SCHEMBL6996105 0.82 PTGS2 (0.50) PTGS2PTGS1
SCHEMBL7002333 0.82 PTGS2 (0.50) PTGS2PTGS1
SCHEMBL7000020 0.82 PTGS2 (0.53) PTGS2PTGS1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1109799-B1 4,5-DIARYL-3(2H)-FURANONE DERIVATIVES AS CYCLOOXYGENASE-2 INHIBITORS PACIFIC CORP (KR) 2003-12-17 EP claimed
US-6492416-B1 TREATING INFLAMMATION AND ASSOCIATED DISORDERS PACIFIC CORPORATION (KR) 2002-12-10 US claimed
EP-1109799-B1 4,5-DIARYL-3(2H)-FURANONE DERIVATIVES AS CYCLOOXYGENASE-2 INHIBITORS PACIFIC CORP (KR) 2003-12-17 EP disclosed
US-6492416-B1 TREATING INFLAMMATION AND ASSOCIATED DISORDERS PACIFIC CORPORATION (KR) 2002-12-10 US disclosed
CN-1348447-A 4,5 diaryl-3 (2H) -furanone derivatives as cyclooxygenase-2 inhibitors PACIFIC CORP (KR) 2002-05-08 CN disclosed